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DL-Tryptophan-d8

CAT: 0804-HY-W012480S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W012480S1-01Size:1 mg
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Description
DL-Tryptophan-d8 is the deuterium labeled DL-Tryptophan. DL-Tryptophan is an endogenous metabolite.
CAS Number
1233395-85-1
Product Name Alternative
(±) -Tryptophan-d8
UNSPSC
12352005
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Purity
99.64
Solubility
DMSO : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
OC(C(N)([2H])C([2H])([2H])C1=C([2H])NC2=C([2H])C([2H])=C([2H])C([2H])=C12)=O
Molecular Formula
C11H4D8N2O2
Molecular Weight
212.27
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

DL-Tryptophan-d8
CAS Number1233395-85-1
PubChem CID58478529
IUPAC Name2-amino-2,3,3-trideuterio-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid
Molecular FormulaC11H12N2O2
Molecular Weight212.27
XLogP-1.1
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity245
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C([2H])([2H])C([2H])(C(=O)O)N)[2H])[2H]
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/i1D,2D,3D,4D,5D2,6D,9D
InChIKey
QIVBCDIJIAJPQS-JLAWCNLZSA-N
Chemical Structure
2D Structure
2D structure of DL-Tryptophan-d8
CAS: 1233395-85-1
CID: 58478529
Formula: C11H12N2O2
MW: 212.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.27
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass212.140091597
Monoisotopic Mass212.140091597
Topological Polar Surface Area79.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity245
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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